N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide

C28H22N4O2 — CID 90910316

About N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide

N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 90910316) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 90910316
• Molecular Formula: C28H22N4O2
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)N[C@@H]2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)cc1
• InChI: InChI=1S/C28H22N4O2/c1-34-18-11-9-17(10-12-18)15-25(33)32-27-20-6-3-2-5-19(20)26-21(27)7-4-8-22(26)28-30-23-13-14-29-16-24(23)31-28/h2-14,16,27H,15H2,1H3,(H,30,31)(H,32,33)/t27-/m1/s1
• InChIKey: ZJBNXPDXWRCSGN-HHHXNRCGSA-N
• XLogP: 5.06
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide?

The IUPAC name of N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide (CID 90910316) is N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide.

What is the SMILES notation for N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide?

The canonical SMILES for N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N[C@@H]2c3ccccc3-c3c(-c4nc5ccncc5[nH]4)cccc32)cc1.

What is the InChIKey of N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is ZJBNXPDXWRCSGN-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-34-18-11-9-17(10-12-18)15-25(33)32-27-20-6-3-2-5-19(20)26-21(27)7-4-8-22(26)28-30-23-13-14-29-16-24(23)31-28/h2-14,16,27H,15H2,1H3,(H,30,31)(H,32,33)/t27-/m1/s1.

What are the key properties of N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide?

N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 446.51 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(9R)-4-(3H-imidazo[4,5-c]pyridin-2-yl)-9H-fluoren-9-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 90910316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).